Geometry & MOs

Info

ID:	234947
PubChem CID:	92303766
Reduced:	ON2F3C22H23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	389.199094
ΔH_f, kcal/mol:	-168.26
Dipole, Da:	6.99
IP(EA), eV:	-8.89(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl (4R)-6-methyl-4-(2-methylphenyl)-1-[(3-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carboxylate

Drug info:

PubChemData

Smile

CCCCNC(=O)C[C@H](C1=CC(=CC=C1)C(F)(F)F)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations